2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanyl-butan-1-ol

Systemtic Name: 2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanyl-butan-1-ol Openeye Name: 2-[bis(2-quinolylmethyl)amino]-4-methylsulfanyl-butan-1-ol CAS Name: 2-[bis(2-quinolinylmethyl)amino]-4-(methylthio)-1-butanol IUPAC Name: 2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanylbutan-1-ol Traditional Name: 2-[bis(2-quinolylmethyl)amino]-4-(methylthio)butan-1-ol Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)N(CC1=NC2=CC=CC=C2C=C1)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CSCCC(CO)N(CC1=NC2=CC=CC=C2C=C1)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3OS/c1-30-15-14-23(18-29)28(16-21-12-10-19-6-2-4-8-24(19)26-21)17-22-13-11-20-7-3-5-9-25(20)27-22/h2-13,23,29H,14-18H2,1H3